1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide

C23H19ClFN3O2 — CID 166984916

IUPAC1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide
SMILESCOc1cccc(F)c1CNC(=O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H19ClFN3O2/c1-30-21-8-4-6-19(25)18(21)13-26-23(29)22-17-5-2-3-7-20(17)28(27-22)14-15-9-11-16(24)12-10-15/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyDXINKYGOBGGTHS-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.82
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide (PubChem CID 166984916) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide
PubChem CID166984916
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide
SMILESCOc1cccc(F)c1CNC(=O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H19ClFN3O2/c1-30-21-8-4-6-19(25)18(21)13-26-23(29)22-17-5-2-3-7-20(17)28(27-22)14-15-9-11-16(24)12-10-15/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyDXINKYGOBGGTHS-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide (CID 166984916) is 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide is COc1cccc(F)c1CNC(=O)c1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide?
The InChIKey is DXINKYGOBGGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c1-30-21-8-4-6-19(25)18(21)13-26-23(29)22-17-5-2-3-7-20(17)28(27-22)14-15-9-11-16(24)12-10-15/h2-12H,13-14H2,1H3,(H,26,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).